Geometry & MOs

Info

ID:	70182
PubChem CID:	47211570
Reduced:	ION4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	401.97444
ΔH_f, kcal/mol:	32.45
Dipole, Da:	4.74
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCCNC2=NC=CC=N2)I

DOS

IR

Vibrations